SpectraBase Spectrum ID |
HXjGLhVDQ3m |
Name |
Benzamide, N-[2-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]phenyl]- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
402.078661498 u |
Formula |
C21H14N4O3S |
InChI |
InChI=1S/C21H14N4O3S/c26-19(14-6-2-1-3-7-14)22-18-9-5-4-8-17(18)21-24-23-20(29-21)15-10-12-16(13-11-15)25(27)28/h1-13H,(H,22,26) |
InChIKey |
URTQKQFNACGOKG-UHFFFAOYSA-N |
Molecular Weight |
402.428 g/mol |
SMILES |
C=1(SC(C2=CC=C(N(=O)=O)C=C2)=NN1)C=1C(NC(=O)C=2C=CC=CC2)=CC=CC1 |